4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine

C19H26N4 — CID 110257678

IUPAC4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCN1CCCC(Cc2ccnc(NCc3ccccn3)c2)CC1
InChIInChI=1S/C19H26N4/c1-23-11-4-5-16(8-12-23)13-17-7-10-21-19(14-17)22-15-18-6-2-3-9-20-18/h2-3,6-7,9-10,14,16H,4-5,8,11-13,15H2,1H3,(H,21,22)
InChIKeyMWMNDJGCSVNMCH-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.36
Rot. Bonds5

About 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine

4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 110257678) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID110257678
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCN1CCCC(Cc2ccnc(NCc3ccccn3)c2)CC1
InChIInChI=1S/C19H26N4/c1-23-11-4-5-16(8-12-23)13-17-7-10-21-19(14-17)22-15-18-6-2-3-9-20-18/h2-3,6-7,9-10,14,16H,4-5,8,11-13,15H2,1H3,(H,21,22)
InChIKeyMWMNDJGCSVNMCH-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(2-chloro-4-pyridinyl)methyl]-1-methylazepane
CID 95804791
6-methyl-2-(1-methylpiperidin-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 110257270
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
4-benzyl-1-methylazepane
CID 123177845
CID 87167875
CID 87167875
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63274981
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
CID 112719833
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-[(1,2-dimethylpiperidin-4-yl)methyl]pyridine
CID 174968091
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62554392

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 110257678) is 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is CN1CCCC(Cc2ccnc(NCc3ccccn3)c2)CC1.
What is the InChIKey of 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is MWMNDJGCSVNMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-23-11-4-5-16(8-12-23)13-17-7-10-21-19(14-17)22-15-18-6-2-3-9-20-18/h2-3,6-7,9-10,14,16H,4-5,8,11-13,15H2,1H3,(H,21,22).
What are the key properties of 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 310.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 110257678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).